Structure Information
Structure

Compound Identification

SMILES

CC1=C(O)C=C2CCC(C)(CCC(O)=O)OC2=C1C.CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=CC(O)=C(C)C(C)=C2O1

InChIKey

InChIKey=HLLAFRPKTCWTNI-UHFFFAOYSA-N

Formula

C43H68O6

Mass

681.011

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Quinone and hydroquinone lipids

Intermediate Tree Nodes

Vitamin E compounds

Direct Parent

Tocopherols

Alternative Parents

Molecular Framework

Not available

Substituents

Tocopherol - Diterpenoid - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain.

External Descriptors

Not available

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